Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHPSHVRALCASLCLGAGLPVHAGHVHAGQGFLEDAKASLTARNFHLHRNFVGDASQGKAEEWTQSFILDARSGFTQGSVGFGLDVLGLYSLKLDGGKGTAGTQLLPIHDDGRPADDFGRLAVAGKLRVSNSELKIGEWMPVLPILRSDDGRSLPQTFRGGQLSANEIAGLTLYAGQFRGNSPRNDASMQDMSLFGRPAATSDRFDFAGGEYRFNGERSLLGLWNAELKDIYRQQYLQLQHSQPL-GDWLLGANLGGFRGRDAGSARAGKLDNRTVSALFSARYGLHTLYLGLQKVSGDDGWMRVNGTSGGTLANDSYNASYDNPGERSWQLRYDFDFVGLGLPGLTFMTRYLHGDHVRLAGVTDDGSEWGRESELGYTLQSGAFKRLNVRWRNSSQRRDWGSNTRFDENRLIVSYPLSLL |
3SZV Chain:A ((17-400)) | ------------------------------EDLVEDSHASLELRNFYFNRDFR--------DEWAQGFLLRLESGFSEGTVGFGVDAIGLLGFKLDS------------------QDDYAKLGLTAKARVSNSLLKVGALHFKSPLVSANDTRLLPELFRGALLDVQEIDGLTLRGAHLDRNKLNSSSDYQVFSA-NRIGGRSDAFDFAGGDYRLTPALT-ASLHQGRLKDIYRQTFAGLVHTLDLG--RSLKSDLRFARASEDGGFR--ELDNRAFGALFSLRLGAHAVAAGYQRISGDDPYPYIAG-SDPYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVSGDNVA-RGAANDGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFAND--LDENRLILSYSLALW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 13561 for 2796 contacts (4.9/contact) +
2D Compatibility (PS) -36194 + (NN) -2429 + (LL) 2036
1D Compatibility (HY) -28000 + (ID) 8100
Total energy: -59126.0 ( -21.15 by residue)
QMean score : 0.142
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